spiro[chromene-2,1'-cyclopentane]-4-carbonitrile

C14H13NO — CID 13339146

IUPACspiro[chromene-2,1'-cyclopentane]-4-carbonitrile
SMILESN#CC1=CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C14H13NO/c15-10-11-9-14(7-3-4-8-14)16-13-6-2-1-5-12(11)13/h1-2,5-6,9H,3-4,7-8H2
InChIKeyQXUURTTXKMEPKF-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.30
Rot. Bonds

About spiro[chromene-2,1'-cyclopentane]-4-carbonitrile

spiro[chromene-2,1'-cyclopentane]-4-carbonitrile (PubChem CID 13339146) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is spiro[chromene-2,1'-cyclopentane]-4-carbonitrile.

Molecular Properties

Compound Namespiro[chromene-2,1'-cyclopentane]-4-carbonitrile
PubChem CID13339146
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Namespiro[chromene-2,1'-cyclopentane]-4-carbonitrile
SMILESN#CC1=CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C14H13NO/c15-10-11-9-14(7-3-4-8-14)16-13-6-2-1-5-12(11)13/h1-2,5-6,9H,3-4,7-8H2
InChIKeyQXUURTTXKMEPKF-UHFFFAOYSA-N
XLogP3.30
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[chromene-2,1'-cyclopentane]-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-spiro[chromene-2,4'-piperidine]-4-ylbenzonitrile
CID 59674314
4-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile
CID 19347964
spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one
CID 155387781
1-spiro[chromene-2,4'-piperidine]-4-ylethenamine
CID 143543689
spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 652743
spiro[1,3-benzodioxine-2,1'-cyclooctane]-4-one
CID 172559881
thieno[3,2-b][1]benzoxepine-5-carbonitrile
CID 125497989
tert-butyl 4-(4-cyanophenyl)spiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 59674488
4-spiro[chromene-2,4'-piperidine]-4-ylphenol
CID 25129433
N-(diaminomethylidene)-4-phenylspiro[chromene-2,1'-cyclopentane]-6-carboxamide
CID 58407516
spiro[3,4-dihydro-1,4-benzoxazepine-2,1'-cyclobutane]-5-one
CID 126827517
3,3-dichlorospiro[chromene-2,1'-cyclohexane]-4-one
CID 11140652

Frequently Asked Questions

What is the IUPAC name of spiro[chromene-2,1'-cyclopentane]-4-carbonitrile?
The IUPAC name of spiro[chromene-2,1'-cyclopentane]-4-carbonitrile (CID 13339146) is spiro[chromene-2,1'-cyclopentane]-4-carbonitrile.
What is the SMILES notation for spiro[chromene-2,1'-cyclopentane]-4-carbonitrile?
The canonical SMILES for spiro[chromene-2,1'-cyclopentane]-4-carbonitrile is N#CC1=CC2(CCCC2)Oc2ccccc21.
What is the InChIKey of spiro[chromene-2,1'-cyclopentane]-4-carbonitrile?
The InChIKey is QXUURTTXKMEPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c15-10-11-9-14(7-3-4-8-14)16-13-6-2-1-5-12(11)13/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of spiro[chromene-2,1'-cyclopentane]-4-carbonitrile?
spiro[chromene-2,1'-cyclopentane]-4-carbonitrile has a molecular weight of 211.26 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[chromene-2,1'-cyclopentane]-4-carbonitrile is sourced from PubChem (CID 13339146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).